2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole-5-carboxylic acid

C11H12N4O2S2 — CID 62753297

IUPAC2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(N2CCN(c3nccs3)CC2)s1
InChIInChI=1S/C11H12N4O2S2/c16-9(17)8-7-13-11(19-8)15-4-2-14(3-5-15)10-12-1-6-18-10/h1,6-7H,2-5H2,(H,16,17)
InChIKeyYYFKAISYCMQSLN-UHFFFAOYSA-N
MW296.38 g/mol
LogP1.62
Rot. Bonds3

About 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole-5-carboxylic acid

2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole-5-carboxylic acid (PubChem CID 62753297) has the molecular formula C11H12N4O2S2 and a molecular weight of 296.38 g/mol. Its IUPAC name is 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole-5-carboxylic acid
PubChem CID62753297
Molecular FormulaC11H12N4O2S2
Molecular Weight296.38 g/mol
Exact Mass296.04
IUPAC Name2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(N2CCN(c3nccs3)CC2)s1
InChIInChI=1S/C11H12N4O2S2/c16-9(17)8-7-13-11(19-8)15-4-2-14(3-5-15)10-12-1-6-18-10/h1,6-7H,2-5H2,(H,16,17)
InChIKeyYYFKAISYCMQSLN-UHFFFAOYSA-N
XLogP1.62
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole-5-carboxylic acid (CID 62753297) is 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(N2CCN(c3nccs3)CC2)s1.
What is the InChIKey of 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is YYFKAISYCMQSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S2/c16-9(17)8-7-13-11(19-8)15-4-2-14(3-5-15)10-12-1-6-18-10/h1,6-7H,2-5H2,(H,16,17).
What are the key properties of 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole-5-carboxylic acid?
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 296.38 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62753297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).